REMARK Name = BDB035439 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.379 0.340 0.725 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.746 0.263 1.554 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.845 0.186 2.765 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.925 0.287 0.679 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.262 0.230 1.028 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.214 0.272 -0.001 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.783 0.353 -1.347 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.416 0.410 -1.685 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.497 0.375 -0.640 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.004 0.412 -0.680 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.156 0.421 0.540 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.778 0.417 0.197 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.738 0.353 1.142 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.099 0.302 2.489 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.440 0.312 2.873 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.449 0.371 1.913 0.00 0.00 +0.005 A BRANCH 11 17 ATOM 17 C LIG 1 -5.280 0.469 -0.615 0.00 0.00 +0.056 C ATOM 18 C LIG 1 -5.357 1.820 -1.421 0.00 0.00 +0.024 C ATOM 19 C LIG 1 -6.505 2.255 -0.473 0.00 0.00 +0.005 C ATOM 20 C LIG 1 -6.780 0.747 -0.251 0.00 0.00 +0.024 C BRANCH 17 23 ATOM 21 C LIG 1 -5.558 -2.655 0.102 0.00 0.00 +0.151 C ATOM 22 N LIG 1 -5.261 -2.114 -1.196 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -5.135 -0.799 -1.550 0.00 0.00 +0.144 A ATOM 24 N LIG 1 -4.833 -0.731 -2.830 0.00 0.00 -0.134 NA ATOM 25 N LIG 1 -4.770 -2.013 -3.320 0.00 0.00 -0.138 NA ATOM 26 C LIG 1 -5.025 -2.832 -2.327 0.00 0.00 +0.224 A ENDBRANCH 17 23 BRANCH 19 27 ATOM 27 C LIG 1 -7.647 3.055 -1.085 0.00 0.00 +0.122 C BRANCH 27 28 ATOM 28 C LIG 1 -7.225 4.431 -1.380 0.00 0.00 +0.063 C ATOM 29 N LIG 1 -6.893 5.519 -1.607 0.00 0.00 -0.197 NA ENDBRANCH 27 28 ENDBRANCH 19 27 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 1.959 0.491 -3.117 0.00 0.00 +0.418 C ATOM 31 F LIG 1 1.148 1.562 -3.340 0.00 0.00 -0.166 F ATOM 32 F LIG 1 2.978 0.597 -4.012 0.00 0.00 -0.166 F ATOM 33 F LIG 1 1.242 -0.604 -3.488 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 5.691 0.191 0.331 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 N LIG 1 6.060 -1.193 0.609 0.00 0.00 -0.307 NA ATOM 36 H LIG 1 5.741 -1.776 -0.165 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 7.449 -1.478 1.012 0.00 0.00 +0.017 C ATOM 38 C LIG 1 8.484 -0.878 0.035 0.00 0.00 +0.022 C ATOM 39 C LIG 1 8.745 0.262 1.040 0.00 0.00 +0.004 C ATOM 40 C LIG 1 7.971 -0.531 2.114 0.00 0.00 +0.022 C ATOM 41 C LIG 1 7.617 -2.961 1.311 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 9